5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide

C15H11Cl2N5O4 — CID 1225466

IUPAC5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1
InChIInChI=1S/C15H11Cl2N5O4/c1-8-13(17)14(22(24)25)20-21(8)7-10-3-4-11(26-10)15(23)19-12-5-2-9(16)6-18-12/h2-6H,7H2,1H3,(H,18,19,23)
InChIKeyPLKHKTFQFWROPM-UHFFFAOYSA-N
MW396.19 g/mol
LogP3.70
Rot. Bonds5

About 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide

5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide (PubChem CID 1225466) has the molecular formula C15H11Cl2N5O4 and a molecular weight of 396.19 g/mol. Its IUPAC name is 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
PubChem CID1225466
Molecular FormulaC15H11Cl2N5O4
Molecular Weight396.19 g/mol
Exact Mass395.02
IUPAC Name5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1
InChIInChI=1S/C15H11Cl2N5O4/c1-8-13(17)14(22(24)25)20-21(8)7-10-3-4-11(26-10)15(23)19-12-5-2-9(16)6-18-12/h2-6H,7H2,1H3,(H,18,19,23)
InChIKeyPLKHKTFQFWROPM-UHFFFAOYSA-N
XLogP3.70
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 34136566
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19448346
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(2-nitrophenyl)phenyl]furan-2-carboxamide
CID 19617378
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
N-[3-bromo-1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1223575
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19465237
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19454890
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19448450
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 993821
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19529435

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide (CID 1225466) is 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide is Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1.
What is the InChIKey of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
The InChIKey is PLKHKTFQFWROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O4/c1-8-13(17)14(22(24)25)20-21(8)7-10-3-4-11(26-10)15(23)19-12-5-2-9(16)6-18-12/h2-6H,7H2,1H3,(H,18,19,23).
What are the key properties of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide?
5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide has a molecular weight of 396.19 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]-N-(5-chloro-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 1225466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).